S-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl) 4-chloranylbenzenecarbothioate

Systemtic Name: S-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl) 4-chloranylbenzenecarbothioate Openeye Name: S-(4-methyl-6-morpholino-pyrimidin-2-yl) 4-chlorobenzenecarbothioate CAS Name: 4-chlorobenzenecarbothioic acid S-[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl] ester IUPAC Name: S-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl) 4-chlorobenzenecarbothioate Traditional Name: 4-chlorothiobenzoic acid S-(4-methyl-6-morpholino-pyrimidin-2-yl) ester Formula: C16H16ClN3O2S MolecularWeight: 349.83514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)C2=CC=C(C=C2)Cl)N3CCOCC3

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)C2=CC=C(C=C2)Cl)N3CCOCC3

InChI

InChI=1S/C16H16ClN3O2S/c1-11-10-14(20-6-8-22-9-7-20)19-16(18-11)23-15(21)12-2-4-13(17)5-3-12/h2-5,10H,6-9H2,1H3